| SpectraBase Compound ID | 54uQxoowyw7 |
|---|---|
| InChI | InChI=1S/C20H35NO3/c1-2-3-4-5-9-16-24-20(23)18-12-14-21(15-13-18)19(22)17-10-7-6-8-11-17/h17-18H,2-16H2,1H3 |
| InChIKey | QGKXCWWQJQXZKL-UHFFFAOYSA-N |
| Mol Weight | 337.5 g/mol |
| Molecular Formula | C20H35NO3 |
| Exact Mass | 337.261694 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6Q926g7FMis |
|---|---|
| Name | Isonipecotic acid, N-(cyclohexylcarbonyl)-, heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 337.261693988 u |
| Formula | C20H35NO3 |
| InChI | InChI=1S/C20H35NO3/c1-2-3-4-5-9-16-24-20(23)18-12-14-21(15-13-18)19(22)17-10-7-6-8-11-17/h17-18H,2-16H2,1H3 |
| InChIKey | QGKXCWWQJQXZKL-UHFFFAOYSA-N |
| Molecular Weight | 337.504 g/mol |
| SMILES | CCCCCCCOC(C1CCN(C(=O)C2CCCCC2)CC1)=O |